N-[4-[3-(ethylideneamino)-2-(methylideneamino)-5-morpholin-4-ylphenoxy]cyclohexyl]-5,6-dimethylpyrazin-2-amine

C25H34N6O2 — CID 134566397

IUPACN-[4-[3-(ethylideneamino)-2-(methylideneamino)-5-morpholin-4-ylphenoxy]cyclohexyl]-5,6-dimethylpyrazin-2-amine
SMILESC=Nc1c(/N=C/C)cc(N2CCOCC2)cc1OC1CCC(Nc2cnc(C)c(C)n2)CC1
InChIInChI=1S/C25H34N6O2/c1-5-27-22-14-20(31-10-12-32-13-11-31)15-23(25(22)26-4)33-21-8-6-19(7-9-21)30-24-16-28-17(2)18(3)29-24/h5,14-16,19,21H,4,6-13H2,1-3H3,(H,29,30)/b27-5+
InChIKeyYSVMXXAEPOIGAG-FZXKJZBHSA-N
MW450.59 g/mol
LogP4.79
Rot. Bonds7

About N-[4-[3-(ethylideneamino)-2-(methylideneamino)-5-morpholin-4-ylphenoxy]cyclohexyl]-5,6-dimethylpyrazin-2-amine

N-[4-[3-(ethylideneamino)-2-(methylideneamino)-5-morpholin-4-ylphenoxy]cyclohexyl]-5,6-dimethylpyrazin-2-amine (PubChem CID 134566397) has the molecular formula C25H34N6O2 and a molecular weight of 450.59 g/mol. Its IUPAC name is N-[4-[3-(ethylideneamino)-2-(methylideneamino)-5-morpholin-4-ylphenoxy]cyclohexyl]-5,6-dimethylpyrazin-2-amine.

Molecular Properties

Compound NameN-[4-[3-(ethylideneamino)-2-(methylideneamino)-5-morpholin-4-ylphenoxy]cyclohexyl]-5,6-dimethylpyrazin-2-amine
PubChem CID134566397
Molecular FormulaC25H34N6O2
Molecular Weight450.59 g/mol
Exact Mass450.27
IUPAC NameN-[4-[3-(ethylideneamino)-2-(methylideneamino)-5-morpholin-4-ylphenoxy]cyclohexyl]-5,6-dimethylpyrazin-2-amine
SMILESC=Nc1c(/N=C/C)cc(N2CCOCC2)cc1OC1CCC(Nc2cnc(C)c(C)n2)CC1
InChIInChI=1S/C25H34N6O2/c1-5-27-22-14-20(31-10-12-32-13-11-31)15-23(25(22)26-4)33-21-8-6-19(7-9-21)30-24-16-28-17(2)18(3)29-24/h5,14-16,19,21H,4,6-13H2,1-3H3,(H,29,30)/b27-5+
InChIKeyYSVMXXAEPOIGAG-FZXKJZBHSA-N
XLogP4.79
TPSA84.23 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.59
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-[4-[3-(ethylideneamino)-2-(methylideneamino)-5-morpholin-4-ylphenoxy]cyclohexyl]-5-propan-2-ylpyrimidin-2-amine
CID 139426738
N-[4-[3-(ethylideneamino)-2-(methylideneamino)-5-morpholin-4-ylphenoxy]cyclohexyl]-6-methoxypyridazin-3-amine
CID 134604932
methyl 2-[[4-[3-(ethylideneamino)-2-(methylideneamino)-5-morpholin-4-ylphenoxy]cyclohexyl]amino]pyridine-4-carboxylate
CID 139426788
5-methoxy-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrazin-2-amine
CID 90454133
1-methyl-8-[4-[(2-methylpyrimidin-4-yl)amino]cyclohexyl]oxy-6-morpholin-4-ylquinoxalin-2-one
CID 139342847
N-[4-(3-methyl-7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-(1-methylpiperidin-4-yl)pyrimidin-2-amine
CID 121335854
5-fluoro-4-N-methyl-2-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidine-2,4-diamine
CID 121335706
2-N,2-N-dimethyl-4-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidine-2,4-diamine
CID 121335685
3-methyl-5-[4-[(2-methylpyrimidin-4-yl)amino]cyclohexyl]oxy-7-morpholin-4-ylquinazolin-4-one
CID 139330620
3,5-dimethyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine
CID 121335619
5-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-3-amine
CID 121335923
1-methyl-6-morpholin-4-yl-8-[4-(pyrimidin-2-ylamino)cyclohexyl]oxyquinoxalin-2-one
CID 139342829

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(ethylideneamino)-2-(methylideneamino)-5-morpholin-4-ylphenoxy]cyclohexyl]-5,6-dimethylpyrazin-2-amine?
The IUPAC name of N-[4-[3-(ethylideneamino)-2-(methylideneamino)-5-morpholin-4-ylphenoxy]cyclohexyl]-5,6-dimethylpyrazin-2-amine (CID 134566397) is N-[4-[3-(ethylideneamino)-2-(methylideneamino)-5-morpholin-4-ylphenoxy]cyclohexyl]-5,6-dimethylpyrazin-2-amine.
What is the SMILES notation for N-[4-[3-(ethylideneamino)-2-(methylideneamino)-5-morpholin-4-ylphenoxy]cyclohexyl]-5,6-dimethylpyrazin-2-amine?
The canonical SMILES for N-[4-[3-(ethylideneamino)-2-(methylideneamino)-5-morpholin-4-ylphenoxy]cyclohexyl]-5,6-dimethylpyrazin-2-amine is C=Nc1c(/N=C/C)cc(N2CCOCC2)cc1OC1CCC(Nc2cnc(C)c(C)n2)CC1.
What is the InChIKey of N-[4-[3-(ethylideneamino)-2-(methylideneamino)-5-morpholin-4-ylphenoxy]cyclohexyl]-5,6-dimethylpyrazin-2-amine?
The InChIKey is YSVMXXAEPOIGAG-FZXKJZBHSA-N. The full InChI is InChI=1S/C25H34N6O2/c1-5-27-22-14-20(31-10-12-32-13-11-31)15-23(25(22)26-4)33-21-8-6-19(7-9-21)30-24-16-28-17(2)18(3)29-24/h5,14-16,19,21H,4,6-13H2,1-3H3,(H,29,30)/b27-5+.
What are the key properties of N-[4-[3-(ethylideneamino)-2-(methylideneamino)-5-morpholin-4-ylphenoxy]cyclohexyl]-5,6-dimethylpyrazin-2-amine?
N-[4-[3-(ethylideneamino)-2-(methylideneamino)-5-morpholin-4-ylphenoxy]cyclohexyl]-5,6-dimethylpyrazin-2-amine has a molecular weight of 450.59 g/mol, XLogP of 4.79, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(ethylideneamino)-2-(methylideneamino)-5-morpholin-4-ylphenoxy]cyclohexyl]-5,6-dimethylpyrazin-2-amine is sourced from PubChem (CID 134566397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).